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6-Chloro-2-phenyl-9.beta.-(2',3',5'-tri-o-acetyl)-D,ribo-furanosylpurine
SpectraBase Compound ID 29zpbLLDate
InChI InChI=1S/C22H21ClN4O7/c1-11(28)31-9-15-17(32-12(2)29)18(33-13(3)30)22(34-15)27-10-24-16-19(23)25-20(26-21(16)27)14-7-5-4-6-8-14/h4-8,10,15,17-18,22H,9H2,1-3H3/t15-,17+,18?,22-/m1/s1
InChIKey GQDFHQPHOSIYOP-CRTRPISOSA-N
Mol Weight 488.88 g/mol
Molecular Formula C22H21ClN4O7
Exact Mass 488.109877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIumSgvxKSc
Name 6-Chloro-2-phenyl-9.beta.-(2',3',5'-tri-O-acetyl)-D,ribo-furanosylpurine
Comments Less than 3 mono-isotopic peaks
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Formula C22H21ClN4O7
InChI InChI=1S/C22H21ClN4O7/c1-11(28)31-9-15-17(32-12(2)29)18(33-13(3)30)22(34-15)27-10-24-16-19(23)25-20(26-21(16)27)14-7-5-4-6-8-14/h4-8,10,15,17-18,22H,9H2,1-3H3/t15-,17+,18?,22-/m1/s1
InChIKey GQDFHQPHOSIYOP-CRTRPISOSA-N
Molecular Weight 488.884 g/mol
SMILES c12[n](cnc2c(Cl)nc(n1)-c1ccccc1)[C@]1(C([C@@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])OC(=O)C)[H]
SPLASH splash10-000i-0000900000-ee9a382a2e9c1c40748b
Source of Spectrum SO-0-964-2
Wiley ID 1538330